UCSF

ZINC23072051

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.02 7.97 -38.35 3 2 1 30 241.358 3
Hi High (pH 8-9.5) 1.02 5.1 -45.06 3 2 1 31 241.358 3
Mid Mid (pH 6-8) 1.02 8.14 -134.61 4 2 2 32 242.366 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )